3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide

C13H12FN3O — CID 102982094

IUPAC3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1Oc1cc(F)ccc1C
InChIInChI=1S/C13H12FN3O/c1-8-2-3-9(14)6-11(8)18-12-7-17-5-4-10(12)13(15)16/h2-7H,1H3,(H3,15,16)
InChIKeyOBSCVDNEHNTDBC-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.61
Rot. Bonds3

About 3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide

3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide (PubChem CID 102982094) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide
PubChem CID102982094
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1Oc1cc(F)ccc1C
InChIInChI=1S/C13H12FN3O/c1-8-2-3-9(14)6-11(8)18-12-7-17-5-4-10(12)13(15)16/h2-7H,1H3,(H3,15,16)
InChIKeyOBSCVDNEHNTDBC-UHFFFAOYSA-N
XLogP2.61
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 102982075
3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide
CID 107712652
3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
CID 102747205
2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 62308673
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide
CID 103174866
7-fluoroisoquinoline-5-carboximidamide
CID 82573360
3-(5-fluoro-2-methylphenoxy)pyridine-2-carbothioamide
CID 102981785
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide
CID 112587792
3-(5-fluoro-2-methylphenoxy)pyridazine-4-carboxylic acid
CID 102987529
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 63269866
2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930851
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide?
The IUPAC name of 3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide (CID 102982094) is 3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide.
What is the SMILES notation for 3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide?
The canonical SMILES for 3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccncc1Oc1cc(F)ccc1C.
What is the InChIKey of 3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide?
The InChIKey is OBSCVDNEHNTDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-8-2-3-9(14)6-11(8)18-12-7-17-5-4-10(12)13(15)16/h2-7H,1H3,(H3,15,16).
What are the key properties of 3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide?
3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide has a molecular weight of 245.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 102982094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).